Structure database (LMSD)

Return to Databases Overview

MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMPK14000007
Common Name	Cycloserine (W)
Systematic Name	-
Synonyms	-
Exact Mass	102.0429 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C3H6N2O2
Category	Polyketides [PK]
Main Class	Non-ribosomal peptide/polyketide hybrids [PK14]
Sub Class	-
PubChem CID	6234
KEGG ID	C08057
HMDB ID	HMDB0014405
CHEBI ID	40009
CAYMAN ID	22194
InChIKey	DYDCUQKUCUHJBH-UWTATZPHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1 Click to highlight InChI
SMILES	[C@]1([H])(N)CONC1=O Click to highlight SMILES
MS Spectra	View MoNA MS spectra
Status	Active
Calculated physicochemical properties (?):
Heavy Atoms 7 Rings 1 Aromatic Rings 0 Rotatable Bonds 0   van der Waals Molecular Volume 85.04 Topological Polar Surface Area 66.42 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2   logP -1.05 Molar Refractivity 23.07